General Information of the Compound
| Compound ID |
CP0545844
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| Compound Name |
[2-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]-pyrrolidin-1-ylmethanone
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| Structure |
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| Formula |
C26H31ClN2O5
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| Molecular Weight |
486.996
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| Canonical SMILES |
O[C@H](COc1cc(O)ccc1C(=O)N1CCCC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1
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| InChI |
InChI=1S/C26H31ClN2O5/c27-19-3-6-23-18(13-19)15-26(34-23)7-11-28(12-8-26)16-21(31)17-33-24-14-20(30)4-5-22(24)25(32)29-9-1-2-10-29/h3-6,13-14,21,30-31H,1-2,7-12,15-17H2/t21-/m0/s1
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| InChIKey |
YSKHHXOZIGRPPI-NRFANRHFSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound